28W
Summary
| Name: | 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide |
| Formula: | C24 H28 Cl N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 501.963 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 6-chloranyl-3-[1-[[(2S)-4-methyl-1-(oxidanylamino)-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-oxidanyl-1H-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NO)C(NC(c2c1ccc(Cl)cc1nc2C(=O)NO)C(=O)NCc3ccccc3)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C24H28ClN5O5/c1-13(2)10-18(22(31)29-34)28-20(23(32)26-12-14-6-4-3-5-7-14)19-16-9-8-15(25)11-17(16)27-21(19)24(33)30-35/h3-9,11,13,18,20,27-28,34-35H,10,12H2,1-2H3,(H,26,32)(H,29,31)(H,30,33)/t18-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | VRQFWSWBTGHUMK-AZUAARDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N[C@@H](C(=O)NCc1ccccc1)c2c([nH]c3cc(Cl)ccc23)C(=O)NO)C(=O)NO |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N[CH](C(=O)NCc1ccccc1)c2c([nH]c3cc(Cl)ccc23)C(=O)NO)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3 |
